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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The effects of mixture preburning on detonation wave propagation

Pressure gain combustion in the form of continuous detonations can provide a significant increase in the efficiency of a variety of propulsion and energy conversion devices. In this regard, rotating detonation engines (RDEs) that utilize an azimuthally-moving detonation wave in annular systems are increasingly seen as a viable approach to realizing pressure gain combustion. However, practical RDEs that employ non- premixed fuel and oxidizer injection need to minimize losses through a number of mechanisms, including turbulence-induced shock-front variations, incomplete fuel-air mixing, and premature deflagration. In this study, a canonical stratified detonation configuration is used to understand the impact of preburning on detonation efficiency. It was found that heat release ahead of the detonation wave leads to weaker shock fronts, delayed combustion of partially-oxidized fuel-air mixture, and non-compact heat release. Furthermore, large variations in wave speeds were observed, which is consistent with wave behavior in full-scale RDEs. Peak pressures in the compression region or near triple points were considerably lower than the theoretically-predicted values for ideal detonations. Analysis of the detonation structure indicates that this deflagration process is parasitic in nature, reducing the detonation efficiency but also leading to heat release far behind the wave that cannot directly strengthen the shock wave. As a result, this parasitic combustion leads to commensal combustion (heat release far downstream of the wave), indicating that it is the root cause of combustion efficiency losses.

42 ENGINEERING↗
DOE OSTI2022

Numerical and experimental investigation of the flame kernel growth in a methane/air mixture near the lean flammability limit

Lean combustion has the potential to improve the thermal efficiency of spark-ignition engines, but it faces the significant challenge of increased cycle-to-cycle variation due to low mixture reactivity and unstable flame dynamics. Computational fluid dynamics (CFD) employing predictive models can guide engine design and optimize operating strategies for lean combustion. However, ignition and combustion models have rarely been validated at fuel-lean conditions, and a fundamental understanding of the early flame kernel growth process is also lacking for a successful sub-model development. Here, the present study develops a numerical simulation framework used to investigate early flame kernel growth in methane/air mixtures. A nanosecond-pulsed discharge (NPD) approach is employed to effectively decouple the flame kernel growth from the electrical discharge due to their difference in timescales, and equivalence ratios near the experimentally measured lean flammability limit (LFL) are selected to focus on challenging mixture conditions. Three numerical investigations, such as the choice of turbulence modeling, grid size, and grid control strategies, are examined to match both LFL and flame kernel structure measured from experiments. It is demonstrated that a quasi-direct numerical simulation (QDNS) with a fixed grid embedding of 10 μm can predict the LFL as φ CFD =0.61 and match the displacement speed of the kernel’s boundary marked in schlieren images. To predict the LFL and flame kernel shape, a fine grid (Δ≤12.5 μm) is needed to capture the consumption of formaldehyde (CH 2 O) in kernel’s reaction branches attached to the anode, and adaptive mesh refinement is replaced with the fixed embedding due to loss of simulation accuracy. Also, it is found that a large-eddy simulation (LES) using the Dynamic Structure model is not suitable for the NPD-induced flame kernel simulation because artificial sub-grid turbulent kinetic energy induced by shock dynamics alters the flow velocity calculation, resulting in divergence of LES from QDNS. Lastly, the simulation well matches the experimental data for the flame kernel evolution in three mixture conditions (φ = 0.7, 0.61, 0.55), showing toroidal flame kernel expansion and flame kernel growth/extinction.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Jacobian-based model diagnostics and application to equation oriented modeling of a carbon capture system

It can be difficult to identify the specific variables or equations responsible for convergence issues in large mathematical programming models. The Institute for the Design of Advanced Energy Systems Integrated Platform (IDAES-IP) contains a tool to identify poorly scaled constraints and variables by searching for rows and columns of the Jacobian matrix with small L2-norms. A singular value decomposition is then performed to identify degenerate sets of equations and remaining scaling issues. Here, this work presents a flowsheet developed for post-combustion carbon capture using a monoethanolamine (MEA) solvent system as a case study. This work takes the reader through the entire process of model diagnostics and reformulation, from a basic introduction to the mathematics behind these model diagnostics to the reformulations necessary to make the model numerically robust, including a significantly modified enhancement factor model.

IDAES↗
DOE OSTI2020

Improved CO 2 Capture Performance of Electrochemically Mediated Amine Regeneration Processes with Ionic Surfactant Additives

For the effective reduction of global CO 2 emissions, it is essential to develop and deploy efficient and cost-effective technologies for CO 2 capture, especially from large point sources. We recently developed an electrochemically mediated amine regeneration (EMAR) system to replace traditional thermal desorption for the capture of CO 2 from post-combustion flue gases. Despite EMAR effectiveness on a laboratory scale, concerns regarding the high gas-to-liquid ratio in the electrochemical cell and long-term instability of the electrodes need to be addressed before further scale-up of the process to a pilot plant and beyond can be entertained. Accordingly, we investigated the effect of using sodium dodecyl sulfate (SDS) as an anionic surfactant and dodecyltrimethylammonium bromide (DTAB) as a cationic surfactant on the process operation. It was found that it is advantageous to use an anionic surfactant for a system such as EMAR that contains hydrophilic electrodes and a positively charged electrochemically active species. The overall cell resistance was notably reduced when SDS anionic surfactant was used. The precipitation of copper particles observed in the anode outlet when no surfactant was used was effectively avoided when SDS was added to the electrolyte, resulting in electrode stability. In addition, smaller gas bubbles were produced in the presence of the SDS surfactant, which resulted in less blockage of the electrode by the gas with a resultant lower cell potential under constant current conditions, driving more efficient CO 2 desorption. This led to an ~25% reduction in the electrochemical energy requirement, the lowest ever achieved experimentally for the EMAR process. Altogether, the addition of a very low concentration of SDS resulted in the successful circumvention of the important problems faced by the EMAR system regarding further scale-up.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Air pollution from aircraft

A model which predicts nitric oxide and carbon monoxide emissions from a swirl can modular combustor is discussed. A detailed analysis of the turbulent fuel-air mixing process in the swirl can module wake region is reviewed. Hot wire anemometry was employed, and gas sampling analysis of fuel combustion emissions were performed.

Heywood, J. B.↗
NASA NTRS1981

Processing modifications for improved propellants - Coated oxidizers

The present investigation is concerned with a technique which makes it possible to improve greatly the performance of composite propellants by alleviating the combustion instability problem. The technique involves the coating of the oxidizer crystals (typically ammonium perchlorate) with a suitably selected chemical. For each application the chemical for the coating is chosen on the basis of a screening procedure including the employment of differential scanning calorimetry and the use of a thermogravimetric analyzer. It is particularly important that the coat chemicals have good thermochemical stability at temperatures up to the normal surface temperature of the propellant during time-independent combustion (typically 800 to 900 K). At higher temperatures, sudden degradation should occur over a vary narrow temperature range (10-20 C).

Helmy, A. K.↗
NASA NTRS1992

Combustion synthesis of ceramic-metal composite materials - The TiC-Al2O3-Al system

Combustion synthesis was applied for producing ceramic-metal composites with reduced levels of porosity, by allowing an excess amount of liquid metal, generated by the exothermic reaction during synthesis, to infiltrate the pores. It is shown that this method, when applied to TiC-Al2O3 system, led to a decreased level of porosity in the resulting TiC-Al2O3-Al product, as compared with that of TiC-Al2O3 system. This in situ procedure is more efficient than the two-stage conventional processes (i.e., sintering followed by liquid metal infiltration), although there are limitations with respect to total penetration of the liquid metal and maintaining a stable propagation of the combustion reaction.

Feng, H. J.↗
NASA NTRS1997

Combustion of PTFE: The Effects of Gravity and Pigmentation on Ultrafine Particle Generation

Ultrafine particles generated during polymer thermodegradation are a major health hazard, owing to their unique pathway of processing in the lung. This hazard in manned spacecraft is poorly understood, because the particulate products of polymer thermodegradation are generated under low gravity conditions. Particulate generated from the degradation of PolyTetraFluoroEthylene (PTFE), insulation coating for 20 AWG copper wire (representative of spacecraft application) under intense ohmic heating were studied in terrestrial gravity and microgravity. Microgravity tests were done in a 1.2-second drop tower at the Colorado School of Mines (CSM). Thermophoretic sampling was used for particulate collection. Transmission Electron Microscopy (TEM) and Scanning Transmission Electron Microscopy (STEM) were used to examine the smoke particulates. Image software was used to calculate particle size distribution. In addition to gravity, the color of PTFE insulation has an overwhelming effect on size, shape and morphology of the particulate. Nanometer-sized primary particles were found in all cases, and aggregation and size distribution was dependent on both color and gravity; higher aggregation occurred in low gravity. Particulates from white, black, red and yellow colored PTFE insulations were studied. Elemental analysis of the particulates shows the presence of inorganic pigments.

McKinnon, J. Thomas↗
NASA NTRS2000

Combustion Response of AP Composite Propellants

The Cohen & Strand model for AP composite propellants is applied as boundary conditions, one for AP and one for binder, in solving the heat conduction equation in each to compute linear and non-linear combustion response properties for each and for the aggregate propellant. Iterations couple AP and binder through the quasi-steady flame processes. Illustrative results for linear response functions (pressure-coupled and velocity-coupled) are presented for a monomodal AP propellant varying AP size, pressure and crossflow speed, and examples of non-linear responses to arbitrary waveforms are shown. A quantitative comparison with response function data is limited to one well-characterized research formulation. Mechanistic implications are discussed, including recommendations for future modeling work.

Shusser, Michael↗
NASA NTRS2002

STS-107 Crew Interviews: Kalpana Chawla MS2

STS-107 Mission Specialist 2 Kalpana Chawla is seen during this preflight interview where she gives a quick overview of the mission before answering questions about her inspiration to become an astronaut and her career path. Chawla outlines her role in the mission in general, and specifically in conducting the on-board science experiments. She discusses the following experiments in detail: MEIDEX (Mediterranean Israel Dust Experiment), CM2 (Combustion Module 2), MIST (Water Mist Fire Suppression), SOFBALL (Structures of Flame Balls at Low Lewis-Number), LSP (Laminar Soot Processes), MGM (Mechanics of Granular Materials) and BDS (Biotechnology Demonstration System). She also discusses the potential benefits of space research, the dual-work shift of the mission and the rewards of international cooperation.

Source record↗
DOE OSTI2020

Elucidating the differences in oxidation of high-performance α- and β- diisobutylene biofuels via Synchrotron photoionization mass spectrometry

Abstract Biofuels are a promising ecologically viable and renewable alternative to petroleum fuels, with the potential to reduce net greenhouse gas emissions. However, biomass sourced fuels are often produced as blends of hydrocarbons and their oxygenates. Such blending complicates the implementation of these fuels in combustion applications. Variations in a biofuel’s composition will dictate combustion properties such as auto ignition temperature, reaction delay time, and reaction pathways. A handful of novel drop-in replacement biofuels for conventional transportation fuels have recently been down selected from a list of over 10,000 potential candidates as part of the U.S. Department of Energy’s (DOE) Co-Optimization of Fuels and Engines (Co-Optima) initiative. Diisobutylene (DIB) is one such high-performing hydrocarbon which can readily be produced from the dehydration and dimerization of isobutanol, produced from the fermentation of biomass-derived sugars. The two most common isomers realized, from this process, are 2,4,4-trimethyl-1-pentene (α-DIB) and 2,4,4-trimethyl-2-pentene (β-DIB). Due to a difference in olefinic bond location, the α- and β- isomer exhibit dramatically different ignition temperatures at constant pressure and equivalence ratio. This may be attributed to different fragmentation pathways enabled by allylic versus vinylic carbons. For optimal implementation of these biofuel candidates, explicit identification of the intermediates formed during the combustion of each of the isomers is needed. To investigate the combustion pathways of these molecules, tunable vacuum ultraviolet (VUV) light (in the range 8.1–11.0 eV) available at the Lawrence Berkeley National Laboratory’s Advanced Light Source (ALS) has been used in conjunction with a jet stirred reactor (JSR) and time-of-flight mass spectrometry to probe intermediates formed. Relative intensity curves for intermediate mass fragments produced during this process were obtained. Several important unique intermediates were identified at the lowest observable combustion temperature with static pressure of 93,325 Pa and for 1.5 s residence time. As this relatively short residence time is just after ignition, this study is targeted at the fuels’ ignition events. Ignition characteristics for both isomers were found to be strongly dependent on the kinetics of C 4 and C 7 fragment production and decomposition, with the tert-butyl radical as a key intermediate species. However, the ignition of α-DIB exhibited larger concentrations of C 4 compounds over C 7 , while the reverse was true for β-DIB. These identified species will allow for enhanced engineering modeling of fuel blending and engine design.

09 BIOMASS FUELS↗
DOE OSTI2024

Exploring the chemical dynamics of phenanthrene (C 14 H 10 ) formation via the bimolecular gas-phase reaction of the phenylethynyl radical (C 6 H 5 CC) with benzene (C 6 H 6 )

The exploration of the fundamental formation mechanisms of polycyclic aromatic hydrocarbons (PAHs) is crucial for the understanding of molecular mass growth processes leading to two- and three-dimensional carbonaceous nanostructures (nanosheets, graphenes, nanotubes, buckyballs) in extraterrestrial environments (circumstellar envelopes, planetary nebulae, molecular clouds) and combustion systems. While key studies have been conducted exploiting traditional, high-temperature mechanisms such as the hydrogen abstraction–acetylene addition (HACA) and phenyl addition–dehydrocyclization (PAC) pathways, the complexity of extreme environments highlights the necessity of investigating chemically diverse mass growth reaction mechanisms leading to PAHs. Employing the crossed molecular beams technique coupled with electronic structure calculations, we report on the gas-phase synthesis of phenanthrene (C 14 H 10 )—a three-ring, 14π benzenoid PAH—via a phenylethynyl addition–cyclization–aromatization mechanism, featuring bimolecular reactions of the phenylethynyl radical (C 6 H 5 CC, X 2 A 1 ) with benzene (C 6 H 6 ) under single collision conditions. The dynamics involve a phenylethynyl radical addition to benzene without entrance barrier leading eventually to phenanthrene via indirect scattering dynamics through C 14 H 11 intermediates. The barrierless nature of reaction allows rapid access to phenanthrene in low-temperature environments such as cold molecular clouds which can reach temperatures as low as 10 K. Furthermore, this mechanism constitutes a unique, low-temperature framework for the formation of PAHs as building blocks in molecular mass growth processes to carbonaceous nanostructures in extraterrestrial environments thus affording critical insight into the low-temperature hydrocarbon chemistry in our universe.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A Mineralogy–Based Anthropogenic Combustion–Iron Emission Inventory

Atmospheric supply of iron can modulate ocean biogeochemistry, due to its key role in global nitrogen and carbon cycles. Current estimates predict up to 20% of global ocean net primary productivity depends on an atmospheric iron source. Using a technology–based methodology, we revise total and soluble anthropogenic iron emissions and resolve iron into its mineral components, which allows modeling mineral–specific atmospheric reactions. We compare different methodologies for representing anthropogenic iron solubility: measured in mild and strong leaches and estimated using a mineralogy basis and identify the emissions that are most affected by such assumptions. The inclusion of metal smelting as an iron source increases iron emissions by up to 10 times higher in the fine aerosol fraction (smaller than 1 μm) than most previous inventories. Different solubility assumptions alter anthropogenic soluble iron emissions and deposition by a factor of 20 and 10, respectively. Using solubilities measured in mild leaches and calculated by mineralogy give 20–30 Gg/yr anthropogenic emissions and 40–50 Gg/yr deposition, while those measured in strong leaches give 80–440 Gg/yr emissions and 200–450 Gg/yr deposition. Here, this range of anthropogenic soluble iron deposition leads to global soluble iron deposition of 1,900–2,300 Gg/yr when dust, wildfires, and atmospheric processing are included, indicating such assumptions can affect global soluble iron supply by about 30%. In regions where marine primary productivity is iron limited, anthropogenic combustion–iron contributes up to half of the atmospheric soluble iron flux to the North Pacific Ocean but supplies less than 5% to the Southern Ocean.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

New reactions of diazene and related species for modelling combustion of amine fuels

Potential energy surfaces for reactions involving N 2 H 2 isomers of diazene (diimide) have been explored using density functional theory, with energies based on coupled-cluster theory. A focus is on processes that create or consume these species, and isomerisation between the E (trans) and Z (cis) forms of HNNH. Furthermore, these include isomerisation and dissociation pathways for HNNH, addition of H atoms to form N 2 H 3 , abstraction by H atoms yielding short-lived NNH, and abstraction reactions of H with N 2 H 3 . Transition state and capture theories are applied for high-pressure-limiting behaviour, while low-pressure and falloff regions are characterised via the methods of Troe and coworkers. Rate constants and thermochemistry are provided to improve models of diamine chemistry, relevant to the combustion of NH 3 especially at high concentrations, high pressures or under reducing conditions. Results indicate that amine radical recombination mainly yields the E HNNH isomer, while H-abstraction from N 2 H 3 results in E HNNH and H 2 NN. However, at elevated temperature E → Z isomerisation becomes competitive, and Z HNNH, being more reactive, acts to enhance the diazene consumption rate.

10 SYNTHETIC FUELS↗
DOE OSTI2024

Microwave-assisted pyrolysis of hydrocarbons using iron-based alumina catalysts obtained via solution combustion synthesis

The demand for hydrogen is growing which makes the development of clean and efficient H2 synthesis technologies imperative. Microwave-assisted, thermocatalytic, dehydrogenation of hydrocarbons has demonstrated the ability to generate H2 with high yield and selectivity, leaving behind valuable solid carbon byproducts. However, this microwave-assisted process is unoptimized which prevents it from being utilized in industry. A critical component of optimization is the development of a catalyst that is catalytically active, a good microwave absorber, and can be regenerated for repeated dehydrogenation cycles. Previous studies that focused on plastic waste decomposition have used iron-based alumina (FeAlxOy) made via solution combustion synthesis (SCS). Unexplored is the effect of tuning SCS parameters on dehydrogenation performance, the use of these materials in hydrocarbon decomposition to H2, and the regeneration of these catalysts. This dissertation has three objectives: (1) characterize the relationship between SCS parameters and the material properties of FeAlxOy, (2) determine how differences in the material properties of FeAlxOy influence their performance as catalysts during microwave-assisted pyrolysis of fossil fuels, and (3) investigate the Boudouard reaction to regenerate the FeAlxOy post-dehydrogenation.

Chanoi, Zachary Aidan↗
DOE OSTI2020

Zeolite Membrane Reactor for Pre-Combustion Carbon Dioxide Capture (Final Scientific/Technical Report)

Water-gas shift (WGS) reaction followed by carbon dioxide (CO 2 ) separation is a critical step in the integrated gasification combined cycle (IGCC) process for fossil-fuel-fired electrical power generation with CO 2 capture. To intensify the IGCC process hydrogen-permselective zeolite membrane reactor offers promise to replace the conventional energy-intensive fixed-bed reactors and solvent-based CO 2 capture units. The objectives of this project were to develop a bench-scale zeolite membrane reactor (total membrane area: 932 cm 2 for a 21-tube membrane bundle) for the water-gas-shift reaction of raw syngas from an oxygen-blown coal-gasifier for H 2 production with simultaneous CO 2 separation at the capability of about 2 kilograms H 2 per day (equivalent to 2 kW IGCC power plant) and to demonstrate significant progress toward achieving overall performance goal of 90% CO 2 capture rate with 95% CO 2 purity at the cost of electricity 30% less than the baseline carbon capture approaches. This report summarizes results obtained in this project on scaling up the zeolite membrane reactor by a factor of 200 in membrane area, tests of the bench-scale zeolite membrane reactor for the water-gas-shift reaction at high temperature and high-pressure, and techno-economic analysis of the integration of the zeolite membrane reactor in IGCC power plant for the electrical generation with CO 2 capture. With effective pore modification by catalytic cracking deposition of MDES (methyldiethoxysilane), fabrication of MFI-type zeolite membranes was successfully scaled-up from a lab-scale disk type to bench-scale multiple-tube bundles on low-cost alumina supports. A Co-Mo based sour shift catalyst was evaluated and used in the zeolite membrane reactors for water-gas-shift reaction. The reaction kinetic and gas-permeation equations were developed and employed in mathematic models to guide/predict experiments/performance of zeolite membrane reactors for water-gas shift reaction. Multiple-tube zeolite membrane bundles and reactors were designed, fabricated and tested for gas separation and water-gas-shift reactions with real raw syngas from a coal-fired gasifier operated at high temperature and pressure. The zeolite membrane reactors demonstrated good long-term thermal and chemical stability and constant H 2 permeance (>300 GPU) together with a Knudsen selectivity (~4.7) for H 2 over CO 2 in the field test (cumulative time >28 hours) with high-sulfur coal-derived syngas. The zeolite-membrane-reactor integrated IGCC process was designed using the performance experimentally measured by the University of Cincinnati team with a single-tube zeolite membrane reactor that offers a CO conversion >98% with more than 90% of CO 2 and H 2 captured. With the above integrative approaches, a techno-economic analysis for a cost-benefit comparison was performed to uncover features that determine the power output, capital expenditure, operating expenditure, cost of electricity and cost of CO 2 capture in a 550-MW zeolite-membrane-reactor integrated IGCC process. The integration of the zeolite membrane reactor in IGCC could provide a significant reduction of 80% and 27% in the power consumption for Selexol™ Acid Gas Removal and CO 2 compression, respectively, which lowers the total auxiliary power consumption by 12.5%. However, the low pressure required at permeate stream for maintaining the driving force of hydrogen permeation through the zeolite membrane costs a huge power in permeate compressor, compensating the power consumption reduction achieved with the membrane reactor. Thus, for coal-fired IGCC for electricity generation with 90% CO 2 captured, the integration of the membrane reactor could provide a CO conversion ~99% and a significant drop in cost-of-electricity using zeolite membrane with H 2 permeance >600 GPU and the H 2 /CO 2 selectivity over 70.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1979

Air pollution from aircraft

Forty-one annotated abstracts of reports generated at MIT and the University of Sheffield are presented along with summaries of the technical projects undertaken. Work completed includes: (1) an analysis of the soot formation and oxidation rates in gas turbine combustors, (2) modelling the nitric oxide formation process in gas turbine combustors, (3) a study of the mechanisms causing high carbon monoxide emissions from gas turbines at low power, (4) an analysis of the dispersion of pollutants from aircraft both around large airports and from the wakes of subsonic and supersonic aircraft, (5) a study of the combustion and flow characteristics of the swirl can modular combustor and the development and verification of NO sub x and CO emissions models, (6) an analysis of the influence of fuel atomizer characteristics on the fuel-air mixing process in liquid fuel spray flames, and (7) the development of models which predict the stability limits of fully and partially premixed fuel-air mixtures.

Heywood, J. B.↗